REMARK Name = BDB035910 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.530 -3.409 2.395 0.00 0.00 +0.047 C ATOM 2 C LIG 1 2.488 -2.554 1.161 0.00 0.00 -0.007 A ATOM 3 C LIG 1 1.266 -2.171 0.589 0.00 0.00 +0.141 A ATOM 4 C LIG 1 1.247 -1.373 -0.554 0.00 0.00 +0.065 A ATOM 5 C LIG 1 -0.049 -0.978 -1.138 0.00 0.00 +0.200 A ATOM 6 C LIG 1 -1.270 -1.480 -0.450 0.00 0.00 +0.064 A ATOM 7 C LIG 1 -1.088 -2.246 0.636 0.00 0.00 +0.208 A ATOM 8 O LIG 1 -0.097 -0.266 -2.134 0.00 0.00 -0.286 OA ATOM 9 C LIG 1 2.441 -0.945 -1.144 0.00 0.00 +0.020 A ATOM 10 C LIG 1 3.671 -1.314 -0.587 0.00 0.00 -0.032 A ATOM 11 O LIG 1 0.113 -2.609 1.194 0.00 0.00 -0.462 OA ATOM 12 C LIG 1 3.682 -2.120 0.564 0.00 0.00 +0.012 A ENDROOT BRANCH 6 13 ATOM 13 C LIG 1 -2.627 -1.185 -0.941 0.00 0.00 -0.011 A ATOM 14 C LIG 1 -3.589 -0.609 -0.096 0.00 0.00 +0.016 A ATOM 15 C LIG 1 -4.891 -0.325 -0.553 0.00 0.00 -0.003 A ATOM 16 C LIG 1 -5.220 -0.650 -1.880 0.00 0.00 +0.007 A ATOM 17 C LIG 1 -4.269 -1.216 -2.729 0.00 0.00 +0.001 A ATOM 18 C LIG 1 -2.980 -1.477 -2.264 0.00 0.00 +0.009 A BRANCH 15 19 ATOM 19 C LIG 1 -5.910 0.313 0.400 0.00 0.00 +0.198 C ATOM 20 F LIG 1 -5.276 0.789 1.525 0.00 0.00 -0.228 F BRANCH 19 21 ATOM 21 C LIG 1 -6.620 1.477 -0.249 0.00 0.00 +0.175 A ATOM 22 N LIG 1 -6.114 2.750 -0.336 0.00 0.00 -0.318 N ATOM 23 C LIG 1 -4.854 3.234 0.161 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -7.042 3.485 -1.006 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -8.062 2.723 -1.320 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -7.800 1.461 -0.847 0.00 0.00 -0.131 NA ENDBRANCH 19 21 BRANCH 19 27 ATOM 27 C LIG 1 -6.859 -0.783 0.871 0.00 0.00 +0.038 C ATOM 28 C LIG 1 -7.555 -0.690 2.212 0.00 0.00 +0.008 C ATOM 29 C LIG 1 -6.488 -1.726 1.995 0.00 0.00 +0.008 C ENDBRANCH 19 27 ENDBRANCH 15 19 ENDBRANCH 6 13 BRANCH 10 30 ATOM 30 C LIG 1 4.972 -0.857 -1.216 0.00 0.00 +0.119 C BRANCH 30 31 ATOM 31 N LIG 1 5.795 -0.031 -0.316 0.00 0.00 -0.298 NA ATOM 32 C LIG 1 5.127 1.234 0.038 0.00 0.00 +0.093 C ATOM 33 C LIG 1 6.069 2.217 0.742 0.00 0.00 +0.069 C ATOM 34 C LIG 1 6.548 1.678 2.094 0.00 0.00 +0.015 C ATOM 35 C LIG 1 7.216 2.560 -0.207 0.00 0.00 +0.254 C ATOM 36 F LIG 1 8.363 2.767 0.489 0.00 0.00 -0.205 F ATOM 37 F LIG 1 6.937 3.755 -0.808 0.00 0.00 -0.205 F ATOM 38 C LIG 1 7.461 1.550 -1.313 0.00 0.00 +0.091 C ATOM 39 C LIG 1 7.162 0.140 -0.835 0.00 0.00 +0.090 C ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 6